sc::PsiCCSD_T(3)

💖 NAME 💖

Okay bestie, you're on the sc::PsiCCSD_T(3) page in the MPQC manual. This is all about sc::PsiCCSD_T — and PsiCCSD_T is a concrete implementation of Psi CCSD(T) wave function. Periodt. 🎀

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✨ SYNOPSIS ✨

#include <psiwfn.h>

Inherits sc::PsiWavefunction. 🦋

💅 Public Member Functions 💅

• PsiCCSD_T (const Ref< KeyVal > &) — the const Ref< KeyVal > & constructor, sitting right here with its exact signature. 🫶
• PsiCCSD_T (StateIn &) — the StateIn & constructor, also exactly as written. ✨
• void save_data_state (StateOut &) — Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. 💾
• int spin_polarized () — Return 1 if the alpha density is not equal to the beta density. 💀
• int gradient_implemented () const — here's the exact signature, no extra description attached. 🌈

🛡️ Protected Member Functions 🛡️

• void write_input (int conv) — Prepares a complete Psi input file. The input file is assumed to have been opened. 📝

🌟 Additional Inherited Members 🌟

Yep, this section exists too — the page just says there are additional inherited members, with no extra list here. That's the whole tea. 🍵

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🧚 Detailed Description 🧚

PsiCCSD_T is a concrete implementation of Psi CCSD(T) wave function. That's the whole detailed description, and honestly it ate. 💅

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🔥 Member Function Documentation 🔥

void sc::PsiCCSD_T::save_data_state (StateOut &) [virtual]

Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. This must be implemented by the derived class if the class has data. 🫶

Reimplemented from sc::PsiWavefunction. ✨

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🎀 Author 🎀

Generated automatically by Doxygen for MPQC from the source code. No cap. 🤖

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Version 2.3.1 · Sun Oct 4 2020 · sc::PsiCCSD_T(3) — that's the footer tea, bestie. Bye! 💖